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CAS 815619-80-8 (S)-Allyl 2-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)-6-aMinohexanoate hydrochloride molecular structure lightbox
CAS RN: 815619-80-8

(S)-Allyl 2-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)-6-aMinohexanoate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-189967
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 815619-80-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

815619-80-8 / prop-2-enyl (2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride

Standard CAS: 815619-80-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
815619-80-8
Multi CAS
Yes
Molecular Formula
C24H29CLN2O4
Molecular Weight
444.900000
Exact Mass
444.181585
InChI
InChI=1S/C24H28N2O4.ClH/c1-2-15-29-23(27)22(13-7-8-14-25)26-24(28)30-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21;/h2-6,9-12,21-22H,1,7-8,13-16,25H2,(H,26,28);1H/t22-;/m0./s1
InChIKey
IBCYYPRTIQUQJP-FTBISJDPSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.3
TPSA
90.65

LogP / Solubility

WLOGP
4.17
MLOGP
3.7
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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